#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1of9 n GLU 2 N 0.00 -2.28 0.06 1.61 1.02 -1.26 -4.79 120.64 115.00 1of9 n GLU 2 Ca 0.00 0.36 -0.11 0.00 -0.02 0.00 0.00 57.16 57.39 1of9 n GLU 2 Cb 0.00 -4.84 -0.05 0.00 -0.02 0.00 0.00 31.44 26.53 1of9 n GLU 2 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1of9 h ILE 3 N 0.00 0.46 0.00 -3.67 1.08 -1.97 -3.42 117.51 109.99 1of9 h ILE 3 Ca -0.17 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.30 1of9 h ILE 3 Cb 1.00 0.46 0.00 0.00 -3.07 0.00 0.00 36.82 35.21 1of9 h ILE 3 CO 0.20 0.00 0.00 -0.11 -0.69 0.00 0.00 178.15 177.55 1of9 n LEU 4 N -5.36 0.00 -0.22 1.44 -0.00 -1.26 -5.02 117.00 106.58 1of9 n LEU 4 Ca -0.05 0.00 0.02 0.00 -0.00 0.00 0.00 56.01 55.98 1of9 n LEU 4 Cb 0.27 0.00 0.12 0.00 -0.00 0.00 0.00 43.42 43.81 1of9 n LEU 4 CO 0.23 0.00 0.84 0.00 -0.00 0.00 0.00 177.39 178.46 1of9 h ASN 6 N 0.13 0.00 0.00 0.00 2.35 -1.95 0.21 115.58 116.31 1of9 h ASN 6 Ca 0.35 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.10 1of9 h ASN 6 Cb 0.58 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.95 1of9 h ASN 6 CO -0.56 0.00 0.00 -0.11 -1.65 0.00 0.00 177.43 175.11 1of9 n LEU 7 N -3.26 0.38 -0.06 1.61 7.94 0.52 -0.44 117.00 123.70 1of9 n LEU 7 Ca 0.10 0.56 -0.11 0.00 -1.11 0.00 0.00 56.01 55.45 1of9 n LEU 7 Cb 0.93 -0.16 -0.05 0.00 0.53 0.00 0.00 43.42 44.67 1of9 n LEU 7 CO 0.20 -0.16 0.58 0.00 -1.11 0.00 0.00 177.39 176.91 1of9 h THR 9 N -0.41 0.00 0.19 0.00 1.35 -1.09 0.79 112.91 113.74 1of9 h THR 9 Ca 0.10 0.00 -0.33 0.00 -0.55 0.00 0.00 66.41 65.64 1of9 h THR 9 Cb 0.60 0.47 0.02 0.00 -1.73 0.00 0.00 68.15 67.51 1of9 h THR 9 CO -0.47 0.00 -1.55 1.23 -0.25 0.00 0.00 175.52 174.48 1of9 h GLY 10 N 0.00 0.47 1.42 5.82 0.00 0.44 -3.02 103.07 108.20 1of9 h GLY 10 Ca 0.00 -1.19 -0.29 0.00 0.00 0.00 0.00 47.33 45.85 1of9 h GLY 10 CO 0.00 1.04 -1.40 0.17 0.00 0.00 0.00 176.54 176.36 1of9 h LEU 11 N 0.11 0.36 0.38 3.11 8.10 0.12 -3.06 115.31 124.43 1of9 h LEU 11 Ca -0.27 -0.45 -0.01 0.00 0.11 0.00 0.00 57.88 57.27 1of9 h LEU 11 Cb 2.10 -0.12 -0.01 0.00 -0.44 0.00 0.00 40.66 42.19 1of9 h LEU 11 CO 0.22 1.36 -0.28 0.40 -4.11 0.00 0.00 178.44 176.03 1of9 h ILE 12 N 0.06 0.41 -0.59 0.15 1.08 0.15 0.54 117.51 119.31 1of9 h ILE 12 Ca -0.19 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.37 1of9 h ILE 12 Cb 1.98 0.41 -0.07 0.00 -3.07 0.00 0.00 36.82 36.08 1of9 h ILE 12 CO 0.17 0.00 0.24 0.78 -0.69 0.00 0.00 178.15 178.65 1of9 h ASN 13 N -0.66 0.26 0.50 1.72 4.21 -1.65 0.66 115.58 120.62 1of9 h ASN 13 Ca -0.03 0.07 0.00 0.00 1.21 0.00 0.00 56.30 57.54 1of9 h ASN 13 Cb 0.56 0.04 0.00 0.00 -1.12 0.00 0.00 38.32 37.80 1of9 h ASN 13 CO 0.00 0.16 0.00 1.07 -1.29 0.00 0.00 177.43 177.38 1of9 n THR 14 N -4.97 0.80 0.04 2.81 5.66 -0.91 -1.79 114.28 115.91 1of9 n THR 14 Ca 0.08 0.20 -0.02 0.00 -3.05 0.00 0.00 64.05 61.26 1of9 n THR 14 Cb 0.25 -0.92 -0.08 0.00 -1.55 0.00 0.00 70.33 68.02 1of9 n THR 14 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 175.07 171.95 1of9 h LEU 15 N 0.00 0.00 -2.61 1.09 4.07 0.56 -3.18 115.31 115.24 1of9 h LEU 15 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1of9 h LEU 15 Cb 0.25 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.99 1of9 h LEU 15 CO 0.00 0.69 0.00 -0.33 -1.08 0.00 0.00 178.44 177.73 1of9 h GLU 16 N 0.00 0.00 -0.02 1.13 5.08 -0.41 0.28 114.58 120.64 1of9 h GLU 16 Ca -0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1of9 h GLU 16 Cb 1.67 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.92 1of9 h GLU 16 CO 0.06 0.00 -0.22 -1.71 -1.00 0.00 0.00 179.01 176.14 1of9 n ASN 17 N -3.64 2.03 0.00 1.42 5.15 -1.24 -4.60 115.26 114.38 1of9 n ASN 17 Ca -0.03 -1.52 0.00 0.00 -0.60 0.00 0.00 54.58 52.43 1of9 n ASN 17 Cb 0.08 0.29 0.00 0.00 -0.53 0.00 0.00 39.78 39.62 1of9 n ASN 17 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 1of9 n LEU 18 N 0.34 0.00 -0.05 1.20 7.94 0.10 -4.79 117.00 121.74 1of9 n LEU 18 Ca 0.09 0.00 -0.10 0.00 -1.11 0.00 0.00 56.01 54.89 1of9 n LEU 18 Cb 0.40 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.32 1of9 n LEU 18 CO 0.18 0.00 -0.64 0.18 -1.11 0.00 0.00 177.39 176.00 1of9 n LEU 19 N 0.00 1.47 -3.27 -1.96 4.32 -1.26 -4.95 117.00 111.34 1of9 n LEU 19 Ca 0.00 0.24 -0.25 0.00 -0.02 0.00 0.00 56.01 55.98 1of9 n LEU 19 Cb 0.00 -0.55 -0.05 0.00 -1.62 0.00 0.00 43.42 41.20 1of9 n LEU 19 CO 0.00 -0.19 -0.09 1.07 -1.22 0.00 0.00 177.39 176.96 1of9 n THR 20 N -3.97 0.00 0.00 -5.08 5.66 -1.26 -3.55 114.28 106.08 1of9 n THR 20 Ca -0.17 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.83 1of9 n THR 20 Cb 0.46 -0.29 0.00 0.00 -1.55 0.00 0.00 70.33 68.95 1of9 n THR 20 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 175.07 173.09 1of9 n THR 21 N -2.59 0.00 0.26 1.09 5.66 -1.26 -5.01 114.28 112.43 1of9 n THR 21 Ca 0.07 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.97 1of9 n THR 21 Cb 0.27 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.00 1of9 n THR 21 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 175.07 172.13 1of9 h LYS 22 N 0.00 -0.65 0.00 1.09 1.57 -1.95 -3.47 116.57 113.16 1of9 h LYS 22 Ca 0.00 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1of9 h LYS 22 Cb 0.00 0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.46 1of9 h LYS 22 CO 0.00 -0.43 0.00 0.41 -0.57 0.00 0.00 179.45 178.86 1of9 n GLY 23 N -0.74 0.01 0.68 3.86 0.00 -1.26 -5.00 105.19 102.74 1of9 n GLY 23 Ca -0.08 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1of9 n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1of9 n ALA 24 N -0.21 0.00 -0.10 4.61 0.00 -1.26 -4.99 120.51 118.56 1of9 n ALA 24 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.27 1of9 n ALA 24 Cb 0.00 -0.17 -0.13 0.00 0.00 0.00 0.00 19.45 19.15 1of9 n ALA 24 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1of9 n ASP 25 N 0.68 1.70 0.16 0.00 8.00 -1.26 -4.11 116.55 121.72 1of9 n ASP 25 Ca 0.00 -0.04 0.13 0.00 0.71 0.00 0.00 54.79 55.58 1of9 n ASP 25 Cb 0.17 -0.28 0.56 0.00 -0.02 0.00 0.00 41.12 41.55 1of9 n ASP 25 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1of9 h LYS 26 N 0.01 0.00 0.22 -1.24 1.63 -1.99 -2.80 116.57 112.40 1of9 h LYS 26 Ca -0.54 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.25 1of9 h LYS 26 Cb 1.97 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.61 1of9 h LYS 26 CO -0.04 0.00 -0.11 -0.24 -3.45 0.00 0.00 179.45 175.61 1of9 h VAL 27 N 0.00 0.85 0.00 2.00 3.04 -1.99 -0.81 116.25 119.34 1of9 h VAL 27 Ca 0.00 -0.54 0.00 0.00 -1.01 0.00 0.00 66.70 65.15 1of9 h VAL 27 Cb 0.31 1.16 0.00 0.00 -2.01 0.00 0.00 31.29 30.75 1of9 h VAL 27 CO 0.00 0.12 0.00 2.29 -1.01 0.00 0.00 177.57 178.97 1of9 n LYS 28 N -5.10 0.12 0.04 4.17 2.85 -1.06 0.42 118.16 119.60 1of9 n LYS 28 Ca -0.09 0.54 -0.12 0.00 -1.05 0.00 0.00 58.31 57.59 1of9 n LYS 28 Cb 0.23 -1.84 -0.14 0.00 -0.65 0.00 0.00 35.03 32.63 1of9 n LYS 28 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 177.40 177.57 1of9 h ASP 29 N 0.00 0.17 0.70 -5.58 1.82 -1.32 -2.90 116.42 109.30 1of9 h ASP 29 Ca 0.00 -0.24 -0.19 0.00 -0.39 0.00 0.00 57.03 56.21 1of9 h ASP 29 Cb 0.11 -0.05 -0.03 0.00 0.68 0.00 0.00 39.33 40.03 1of9 h ASP 29 CO 0.00 1.21 -1.42 0.22 -1.61 0.00 0.00 179.24 177.63 1of9 h TYR 30 N 0.03 0.00 -0.04 0.28 5.03 0.55 -3.09 116.97 119.74 1of9 h TYR 30 Ca -0.20 0.00 -0.18 0.00 2.58 0.00 0.00 58.73 60.93 1of9 h TYR 30 Cb 1.95 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 40.22 1of9 h TYR 30 CO 0.03 0.65 -0.77 0.82 -1.32 0.00 0.00 178.16 177.57 1of9 h ILE 31 N 0.00 1.43 -0.06 1.81 2.04 -0.15 -2.24 117.51 120.33 1of9 h ILE 31 Ca -0.18 -2.31 -0.08 0.00 1.00 0.00 0.00 64.86 63.29 1of9 h ILE 31 Cb 1.65 2.25 0.00 0.00 -0.74 0.00 0.00 36.82 39.98 1of9 h ILE 31 CO 0.05 0.68 -0.27 0.28 0.00 0.00 0.00 178.15 178.89 1of9 h SER 32 N 0.17 0.35 -0.64 1.72 0.02 -1.63 0.56 113.55 114.10 1of9 h SER 32 Ca -0.03 -0.64 0.04 0.00 -0.84 0.00 0.00 61.79 60.31 1of9 h SER 32 Cb 1.34 -0.10 -0.04 0.00 0.14 0.00 0.00 62.40 63.75 1of9 h SER 32 CO 0.12 0.94 0.42 -1.28 -1.14 0.00 0.00 176.83 175.89 1of9 h SER 33 N -0.21 0.64 0.05 3.07 0.87 -1.56 1.83 113.55 118.24 1of9 h SER 33 Ca -0.02 -0.01 -0.07 0.00 -1.23 0.00 0.00 61.79 60.47 1of9 h SER 33 Cb 0.92 -0.15 0.01 0.00 -0.44 0.00 0.00 62.40 62.74 1of9 h SER 33 CO 0.06 0.44 -0.31 -0.07 -0.53 0.00 0.00 176.83 176.42 1of9 h LEU 34 N 0.74 0.17 0.00 2.23 3.38 -1.36 -3.16 115.31 117.31 1of9 h LEU 34 Ca 0.26 -0.98 0.00 0.00 0.09 0.00 0.00 57.88 57.25 1of9 h LEU 34 Cb 0.11 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1of9 h LEU 34 CO -0.07 1.15 0.00 0.00 0.09 0.00 0.00 178.44 179.60 1of9 n ASN 36 N -1.38 3.95 -1.59 0.00 5.15 0.62 -2.51 115.26 119.48 1of9 n ASN 36 Ca 0.06 -2.20 -0.00 0.00 -0.60 0.00 0.00 54.58 51.83 1of9 n ASN 36 Cb 0.15 -0.95 0.02 0.00 -0.53 0.00 0.00 39.78 38.47 1of9 n ASN 36 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1of9 n LYS 37 N 3.75 0.21 0.00 1.20 5.02 -1.26 -5.00 118.16 122.08 1of9 n LYS 37 Ca 0.35 -0.20 0.00 0.00 -2.02 0.00 0.00 58.31 56.43 1of9 n LYS 37 Cb 0.24 0.12 0.00 0.00 -0.02 0.00 0.00 35.03 35.37 1of9 n LYS 37 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1of9 n ALA 38 N -0.24 0.59 -4.15 7.82 0.00 -1.05 -4.98 120.51 118.50 1of9 n ALA 38 Ca -0.03 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.04 1of9 n ALA 38 Cb 0.54 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.95 1of9 n ALA 38 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1of9 n SER 39 N 0.00 -1.30 0.00 0.00 3.41 -1.26 -4.68 113.62 109.79 1of9 n SER 39 Ca 0.00 -1.22 0.00 0.00 -0.26 0.00 0.00 58.87 57.39 1of9 n SER 39 Cb 0.00 -1.49 0.00 0.00 -0.26 0.00 0.00 64.21 62.46 1of9 n SER 39 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1of9 n GLY 40 N -2.29 0.14 0.14 5.00 0.00 -1.26 -4.88 105.19 102.05 1of9 n GLY 40 Ca -0.21 0.48 -0.22 0.00 0.00 0.00 0.00 46.02 46.07 1of9 n GLY 40 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1of9 h PHE 41 N 0.00 0.86 0.00 1.61 3.04 -2.00 -3.23 116.94 117.23 1of9 h PHE 41 Ca 0.00 -0.61 0.00 0.00 3.98 0.00 0.00 57.97 61.34 1of9 h PHE 41 Cb 0.00 -0.04 0.00 0.00 2.56 0.00 0.00 35.95 38.47 1of9 h PHE 41 CO 0.00 1.46 -0.37 -0.89 -2.02 0.00 0.00 178.31 176.50 1of9 n ILE 42 N -3.69 0.05 -0.36 1.41 -0.00 -1.26 -4.23 119.36 111.29 1of9 n ILE 42 Ca -0.14 -0.03 -0.09 0.00 -0.00 0.00 0.00 62.75 62.49 1of9 n ILE 42 Cb 1.06 -0.01 -0.07 0.00 -0.00 0.00 0.00 39.64 40.61 1of9 n ILE 42 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1of9 n ALA 43 N -1.54 -0.50 0.23 -1.39 0.00 -1.22 0.33 120.51 116.43 1of9 n ALA 43 Ca 0.06 0.74 0.09 0.00 0.00 0.00 0.00 53.44 54.32 1of9 n ALA 43 Cb 0.35 -0.14 0.57 0.00 0.00 0.00 0.00 19.45 20.23 1of9 n ALA 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1of9 h THR 44 N 0.00 0.79 -0.49 0.00 1.03 -1.79 -1.63 112.91 110.82 1of9 h THR 44 Ca 0.15 -0.82 -0.12 0.00 -0.01 0.00 0.00 66.41 65.61 1of9 h THR 44 Cb 0.37 1.50 -0.01 0.00 -1.07 0.00 0.00 68.15 68.93 1of9 h THR 44 CO -0.81 0.20 -0.15 -0.07 -0.01 0.00 0.00 175.52 174.68 1of9 h LEU 45 N 0.00 0.98 0.38 0.00 3.38 0.53 0.33 115.31 120.92 1of9 h LEU 45 Ca -0.00 -0.37 -0.02 0.00 0.09 0.00 0.00 57.88 57.57 1of9 h LEU 45 Cb 0.48 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1of9 h LEU 45 CO 0.03 1.13 -0.18 0.00 0.09 0.00 0.00 178.44 179.50 1of9 h THR 47 N -0.90 0.00 0.57 0.00 2.02 -1.31 -1.82 112.91 111.48 1of9 h THR 47 Ca -0.05 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.10 1of9 h THR 47 Cb 0.54 0.62 0.01 0.00 -1.74 0.00 0.00 68.15 67.58 1of9 h THR 47 CO 0.09 0.00 -0.27 0.11 0.37 0.00 0.00 175.52 175.81 1of9 h LYS 48 N 0.00 -0.74 -0.83 6.66 1.79 -0.51 0.25 116.57 123.19 1of9 h LYS 48 Ca 0.00 0.05 0.17 0.00 -2.18 0.00 0.00 60.65 58.69 1of9 h LYS 48 Cb 0.21 0.17 -0.10 0.00 -1.58 0.00 0.00 32.23 30.93 1of9 h LYS 48 CO 0.00 -0.44 0.37 0.28 -1.08 0.00 0.00 179.45 178.58 1of9 h VAL 49 N -1.08 0.62 0.03 0.50 2.07 -1.24 0.51 116.25 117.66 1of9 h VAL 49 Ca -0.08 -0.17 -0.00 0.00 0.82 0.00 0.00 66.70 67.27 1of9 h VAL 49 Cb 0.65 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 1of9 h VAL 49 CO 0.13 0.09 -0.02 -0.07 0.02 0.00 0.00 177.57 177.72 1of9 h LEU 50 N 0.48 -0.04 -1.48 2.57 3.38 -1.43 1.41 115.31 120.22 1of9 h LEU 50 Ca 0.48 -0.13 0.10 0.00 0.09 0.00 0.00 57.88 58.42 1of9 h LEU 50 Cb 0.78 0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.49 1of9 h LEU 50 CO -0.43 0.11 0.47 -0.78 0.09 0.00 0.00 178.44 177.89 1of9 h ASP 51 N -0.18 0.52 0.08 -0.43 3.58 0.16 -2.75 116.42 117.41 1of9 h ASP 51 Ca -0.00 0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.46 1of9 h ASP 51 Cb 0.16 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.12 1of9 h ASP 51 CO 0.01 0.31 -0.04 0.15 -2.88 0.00 0.00 179.24 176.79 1of9 h PHE 52 N 0.58 -0.09 0.00 0.28 3.57 0.55 -3.50 116.94 118.32 1of9 h PHE 52 Ca 0.33 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.83 1of9 h PHE 52 Cb 0.51 0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.28 1of9 h PHE 52 CO -0.00 0.28 0.00 0.41 -2.23 0.00 0.00 178.31 176.77 1of9 n GLY 53 N 1.33 2.69 0.34 2.40 0.00 0.48 -4.74 105.19 107.69 1of9 n GLY 53 Ca -0.05 -0.61 0.21 0.00 0.00 0.00 0.00 46.02 45.57 1of9 n GLY 53 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1of9 h ILE 54 N 0.00 0.38 -0.70 -0.61 5.03 -1.81 1.42 117.51 121.22 1of9 h ILE 54 Ca 0.00 -0.14 -0.06 0.00 -0.12 0.00 0.00 64.86 64.53 1of9 h ILE 54 Cb 0.00 -0.06 -0.03 0.00 -3.03 0.00 0.00 36.82 33.70 1of9 h ILE 54 CO 0.00 0.07 0.19 0.44 -0.68 0.00 0.00 178.15 178.17 1of9 h ASP 55 N 0.41 1.05 0.26 1.72 5.19 -1.92 -2.76 116.42 120.37 1of9 h ASP 55 Ca 0.70 -0.21 -0.01 0.00 -0.62 0.00 0.00 57.03 56.88 1of9 h ASP 55 Cb 1.49 -0.28 -0.00 0.00 0.18 0.00 0.00 39.33 40.72 1of9 h ASP 55 CO -0.56 1.00 -0.15 0.11 -3.12 0.00 0.00 179.24 176.52 1of9 h LYS 56 N 1.06 -0.37 -0.90 3.56 1.79 0.16 0.17 116.57 122.04 1of9 h LYS 56 Ca 0.22 0.03 0.25 0.00 -2.18 0.00 0.00 60.65 58.97 1of9 h LYS 56 Cb 0.35 0.08 -0.14 0.00 -1.58 0.00 0.00 32.23 30.94 1of9 h LYS 56 CO -0.00 -0.25 0.27 -0.07 -1.08 0.00 0.00 179.45 178.32 1of9 h LEU 57 N -0.38 0.05 -0.43 2.94 4.07 -0.84 1.12 115.31 121.83 1of9 h LEU 57 Ca -0.03 0.20 -0.15 0.00 0.08 0.00 0.00 57.88 57.99 1of9 h LEU 57 Cb 0.31 0.26 -0.01 0.00 1.08 0.00 0.00 40.66 42.30 1of9 h LEU 57 CO 0.04 -0.16 -0.30 0.40 -1.08 0.00 0.00 178.44 177.33 1of9 h ILE 58 N 0.21 1.27 -0.90 1.22 2.04 -1.10 -2.45 117.51 117.80 1of9 h ILE 58 Ca 0.58 -1.47 0.06 0.00 1.00 0.00 0.00 64.86 65.02 1of9 h ILE 58 Cb 1.19 1.26 -0.06 0.00 -0.74 0.00 0.00 36.82 38.47 1of9 h ILE 58 CO -0.66 0.50 0.57 -0.61 0.00 0.00 0.00 178.15 177.95 1of9 h GLN 59 N 0.81 1.02 0.81 2.37 -0.00 0.41 0.14 115.11 120.66 1of9 h GLN 59 Ca 0.09 -0.06 -0.04 0.00 -0.00 0.00 0.00 58.65 58.63 1of9 h GLN 59 Cb 0.89 -0.23 0.01 0.00 0.00 0.00 0.00 27.48 28.15 1of9 h GLN 59 CO 0.08 0.68 -0.39 -0.07 0.00 0.00 0.00 178.83 179.13 1of9 h LEU 60 N 1.05 -0.92 -0.60 -2.39 3.38 -0.18 -2.30 115.31 113.36 1of9 h LEU 60 Ca 0.38 0.02 0.12 0.00 0.09 0.00 0.00 57.88 58.49 1of9 h LEU 60 Cb 0.13 0.24 -0.11 0.00 0.09 0.00 0.00 40.66 41.00 1of9 h LEU 60 CO -0.16 -0.59 -0.12 -0.29 0.09 0.00 0.00 178.44 177.36 1of9 h ILE 61 N -1.21 0.42 -1.02 1.22 2.10 -1.13 0.56 117.51 118.45 1of9 h ILE 61 Ca -0.11 -0.01 0.26 0.00 1.08 0.00 0.00 64.86 66.08 1of9 h ILE 61 Cb 0.85 0.40 -0.12 0.00 -1.09 0.00 0.00 36.82 36.86 1of9 h ILE 61 CO 0.18 0.00 0.62 -0.33 -1.08 0.00 0.00 178.15 177.55 1of9 h GLU 62 N 0.02 0.50 0.01 2.19 4.39 -0.59 -2.59 114.58 118.50 1of9 h GLU 62 Ca 0.29 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.96 1of9 h GLU 62 Cb 0.45 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 1of9 h GLU 62 CO -0.60 0.33 -0.01 0.22 -1.16 0.00 0.00 179.01 177.79 1of9 h ASP 63 N 0.51 -0.01 0.00 1.42 3.58 0.62 -3.47 116.42 119.07 1of9 h ASP 63 Ca 0.63 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.08 1of9 h ASP 63 Cb 1.35 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.40 1of9 h ASP 63 CO -0.42 -0.00 0.00 1.17 -2.88 0.00 0.00 179.24 177.11 1of9 n LYS 64 N -2.08 0.00 -3.56 0.28 3.00 -0.16 -5.11 118.16 110.52 1of9 n LYS 64 Ca -0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 58.31 57.90 1of9 n LYS 64 Cb 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 35.03 34.95 1of9 n LYS 64 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1of9 s VAL 65 N 0.00 4.24 0.78 3.15 1.01 -0.87 -4.96 120.40 123.75 1of9 s VAL 65 Ca 0.00 -1.65 -0.10 0.00 0.00 0.00 0.00 61.98 60.23 1of9 s VAL 65 Cb 0.00 -3.73 0.15 0.00 0.00 0.00 0.00 36.38 32.81 1of9 s VAL 65 CO 0.00 -0.69 0.35 0.47 0.00 0.00 0.00 175.10 175.23 1of9 n ASP 66 N 4.92 -2.66 0.04 3.32 8.00 -1.26 -3.54 116.55 125.36 1of9 n ASP 66 Ca -0.09 -0.35 -0.15 0.00 0.71 0.00 0.00 54.79 54.91 1of9 n ASP 66 Cb 0.41 -0.59 -0.05 0.00 -0.02 0.00 0.00 41.12 40.88 1of9 n ASP 66 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1of9 h ALA 67 N -2.55 0.35 0.10 2.24 0.00 -1.96 -2.53 119.26 114.90 1of9 h ALA 67 Ca -0.16 -0.66 -0.00 0.00 0.00 0.00 0.00 54.91 54.09 1of9 h ALA 67 Cb 0.53 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1of9 h ALA 67 CO 0.09 0.74 -0.05 -0.97 0.00 0.00 0.00 179.25 179.07 1of9 h ASN 68 N 0.35 -0.11 -1.07 0.00 -0.73 -1.89 0.51 115.58 112.63 1of9 h ASN 68 Ca -0.07 -0.47 0.29 0.00 1.87 0.00 0.00 56.30 57.92 1of9 h ASN 68 Cb 1.50 0.03 -0.09 0.00 0.27 0.00 0.00 38.32 40.03 1of9 h ASN 68 CO 0.16 0.50 0.70 0.00 -0.37 0.00 0.00 177.43 178.42 1of9 h ALA 69 N -0.16 2.36 0.17 1.57 0.00 -1.90 0.63 119.26 121.93 1of9 h ALA 69 Ca -0.01 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1of9 h ALA 69 Cb 0.57 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1of9 h ALA 69 CO 0.02 -0.77 -0.08 0.82 0.00 0.00 0.00 179.25 179.23 1of9 h ILE 70 N 0.33 0.27 -0.50 0.00 1.08 -1.42 -2.95 117.51 114.32 1of9 h ILE 70 Ca 0.61 -0.97 0.14 0.00 -0.39 0.00 0.00 64.86 64.25 1of9 h ILE 70 Cb 1.66 0.48 -0.02 0.00 -3.07 0.00 0.00 36.82 35.87 1of9 h ILE 70 CO -0.28 0.08 0.70 0.00 -0.69 0.00 0.00 178.15 177.96 1of9 h ALA 72 N 1.08 0.09 -0.40 0.00 0.00 0.25 1.59 119.26 121.86 1of9 h ALA 72 Ca 0.24 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1of9 h ALA 72 Cb 1.63 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.40 1of9 h ALA 72 CO -0.00 -0.09 0.00 1.17 0.00 0.00 0.00 179.25 180.33 1of9 n LYS 73 N -4.71 0.00 0.00 0.00 4.81 0.34 -0.17 118.16 118.43 1of9 n LYS 73 Ca -0.08 0.68 0.03 0.00 -0.87 0.00 0.00 58.31 58.07 1of9 n LYS 73 Cb 0.32 -1.43 0.15 0.00 0.02 0.00 0.00 35.03 34.09 1of9 n LYS 73 CO 0.00 0.00 0.00 0.44 1.17 0.00 0.00 177.40 179.01 1of9 n ILE 74 N -2.25 0.82 -3.79 3.15 -0.00 -1.07 -4.80 119.36 111.42 1of9 n ILE 74 Ca 0.00 0.20 -0.26 0.00 -0.00 0.00 0.00 62.75 62.69 1of9 n ILE 74 Cb 0.00 -1.11 0.04 0.00 -0.00 0.00 0.00 39.64 38.57 1of9 n ILE 74 CO 0.00 0.00 0.00 1.57 -0.00 0.00 0.00 176.55 178.12 1of9 n HIS 75 N -1.25 -2.23 0.10 4.28 -0.00 0.76 -4.80 115.22 112.07 1of9 n HIS 75 Ca 0.03 0.90 0.02 0.00 -0.00 0.00 0.00 57.72 58.66 1of9 n HIS 75 Cb 0.04 -4.29 0.18 0.00 -0.00 0.00 0.00 29.99 25.92 1of9 n HIS 75 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1of9 n ALA 76 N -4.56 3.25 0.33 1.57 0.00 0.52 -4.83 120.51 116.79 1of9 n ALA 76 Ca -0.09 -0.95 0.03 0.00 0.00 0.00 0.00 53.44 52.43 1of9 n ALA 76 Cb 0.59 -1.08 0.16 0.00 0.00 0.00 0.00 19.45 19.12 1of9 n ALA 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50